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5-bromo-2-(dodecylthio)pyrimidin-4(3H)-one
SpectraBase Compound ID 5OQTwWLtcO7
InChI InChI=1S/C16H27BrN2OS/c1-2-3-4-5-6-7-8-9-10-11-12-21-16-18-13-14(17)15(20)19-16/h13H,2-12H2,1H3,(H,18,19,20)
InChIKey PJRRUDFNPFVCGP-UHFFFAOYSA-N
Mol Weight 375.37 g/mol
Molecular Formula C16H27BrN2OS
Exact Mass 374.102748 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7bEaV9bENcd
Name 5-bromo-2-(dodecylthio)pyrimidin-4(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H27BrN2OS
InChI InChI=1S/C16H27BrN2OS/c1-2-3-4-5-6-7-8-9-10-11-12-21-16-18-13-14(17)15(20)19-16/h13H,2-12H2,1H3,(H,18,19,20)
InChIKey PJRRUDFNPFVCGP-UHFFFAOYSA-N
Instrument Name AMD 402
Ionization Type EI
Literature Reference DOI 10.1002/rcm.1898
Molecular Weight 375.369 g/mol
Reported Formula C16H27N2OSBr
SMILES N1C(=NC=C(C1=O)Br)SCCCCCCCCCCCC
SPLASH splash10-056r-0198000000-71c865d542b0b3758f12
Source of Spectrum RCM-19-1210-2
Wiley ID 1836453